#MD System 2.0 @Title neb0_image09 @Columns AsymmetricAtom AtomicNumber int 0 Connections string {{}} Fractional double {{0.0 0.0 0.0}} Name string {{}} Site int 1 Spin double 0.0 WyckoffPosition int -1 @end @data 14 {} {0.849551748036 0.308006057852 0.0624921519525} Si1 1 0.0 1 14 {} {0.850200357131 0.38533163262 0.444314545817} Si2 2 0.0 1 14 {} {0.0995088379016 0.307675224658 0.192486759255} Si3 3 0.0 1 14 {} {0.0996045733925 0.383631139855 0.317691787614} Si4 4 0.0 1 14 {} {0.859985281948 0.542878253033 0.439744819299} Si5 5 0.0 1 14 {} {0.103597204938 0.537815402815 0.304962171584} Si6 6 0.0 1 14 {} {0.847437463588 0.45908716524 0.0665948092232} Si7 7 0.0 1 14 {} {0.845911671008 0.23003438243 0.442231103888} Si8 8 0.0 1 14 {} {0.0993871912383 0.458698507449 0.192346770772} Si9 9 0.0 1 14 {} {0.0956612499913 0.229238458892 0.313627299178} Si10 10 0.0 1 8 {} {0.335590674724 0.592552736083 0.523022709123} O1 11 0.0 1 14 {} {0.350328389949 0.659224824814 0.518000021216} Si11 12 0.0 1 8 {} {0.113128746616 0.589486515444 0.208412735235} O2 13 0.0 1 1 {} {0.0129596600506 0.594382242243 0.148998543522} H1 14 0.0 1 8 {} {0.334858805073 0.178111005501 0.540298224986} O3 15 0.0 1 1 {} {0.93374368054 0.175337788672 0.600977697375} H2 16 0.0 1 8 {} {0.0845636069334 0.177496050644 0.215911908145} O4 17 0.0 1 1 {} {0.183568309379 0.173940314821 0.155799022509} H3 18 0.0 1 14 {} {0.850160793887 0.308268509802 0.565123487764} Si12 19 0.0 1 14 {} {0.849428699429 0.384713148664 0.938957331211} Si13 20 0.0 1 14 {} {0.0998345028338 0.309631277812 0.694723268109} Si14 21 0.0 1 14 {} {0.100582207489 0.388273447837 0.813176559222} Si15 22 0.0 1 14 {} {0.852498848393 0.537558664771 0.951016303248} Si16 23 0.0 1 14 {} {0.10372207671 0.54301784005 0.82076762146} Si17 24 0.0 1 14 {} {0.851224950407 0.464434834372 0.560046542623} Si18 25 0.0 1 14 {} {0.845955876337 0.229322229389 0.942554520822} Si19 26 0.0 1 14 {} {0.101284333153 0.466625815677 0.690277039351} Si20 27 0.0 1 14 {} {0.0961523400561 0.230526900579 0.814912013639} Si21 28 0.0 1 8 {} {0.363864086525 0.589484440474 0.0467372780917} O5 29 0.0 1 1 {} {0.26354132522 0.594153977899 0.106875535113} H4 30 0.0 1 8 {} {0.10930213799 0.604504704199 0.781013949629} O6 31 0.0 1 1 {} {0.108662420859 0.62620861351 0.704104911265} H5 32 0.0 1 8 {} {0.334858348679 0.177820668879 0.0410594899197} O7 33 0.0 1 1 {} {0.93387325335 0.174135218123 0.100990260078} H6 34 0.0 1 8 {} {0.0849768180831 0.180005186204 0.713821556082} O8 35 0.0 1 1 {} {0.184548902907 0.176107053185 0.654122869079} H7 36 0.0 1 14 {} {0.349612846932 0.308018328418 0.0626031341657} Si22 37 0.0 1 14 {} {0.350156847732 0.384966393233 0.443427253745} Si23 38 0.0 1 14 {} {0.599643078154 0.308232211642 0.192450835212} Si24 39 0.0 1 14 {} {0.6007248247 0.384131524809 0.318138112705} Si25 40 0.0 1 14 {} {0.351753682838 0.541261024065 0.435606872222} Si26 41 0.0 1 14 {} {0.607026023255 0.54200700932 0.311981899885} Si27 42 0.0 1 14 {} {0.354035799485 0.458947633879 0.0690092207324} Si28 43 0.0 1 14 {} {0.345506181121 0.229686433259 0.442087507912} Si29 44 0.0 1 14 {} {0.602525159478 0.461190423418 0.199483879859} Si30 45 0.0 1 14 {} {0.595788263181 0.22978573992 0.313868195966} Si31 46 0.0 1 8 {} {0.874289697673 0.59104017272 0.539978392401} O9 47 0.0 1 1 {} {0.951953508009 0.621968891357 0.533296313513} H8 48 0.0 1 8 {} {0.616718492552 0.591477033196 0.209900706045} O10 49 0.0 1 1 {} {0.515120258779 0.595612548009 0.151265039729} H9 50 0.0 1 8 {} {0.834602925975 0.178575647023 0.540737888774} O11 51 0.0 1 1 {} {0.43386390508 0.174730924039 0.600556713319} H10 52 0.0 1 8 {} {0.58503545136 0.178133820468 0.215883299132} O12 53 0.0 1 1 {} {0.684004455766 0.174486583666 0.155757905862} H11 54 0.0 1 14 {} {0.349098311235 0.307939781381 0.564788577876} Si32 55 0.0 1 14 {} {0.35123429959 0.384908243049 0.939742436374} Si33 56 0.0 1 14 {} {0.599470796546 0.308763434064 0.693557780768} Si34 57 0.0 1 14 {} {0.600209288569 0.386888809317 0.812151440982} Si35 58 0.0 1 14 {} {0.35404643324 0.537139475518 0.953526480509} Si36 59 0.0 1 14 {} {0.601004036352 0.541619358906 0.818789387812} Si37 60 0.0 1 14 {} {0.351627749373 0.463963445004 0.56033369177} Si38 61 0.0 1 14 {} {0.346197373163 0.229318510839 0.942687336534} Si39 62 0.0 1 14 {} {0.60153662318 0.46501006486 0.690776555962} Si40 63 0.0 1 14 {} {0.595995249172 0.230028355569 0.814598986815} Si41 64 0.0 1 8 {} {0.861499189774 0.590125257429 0.0437823445691} O13 65 0.0 1 1 {} {0.762998169 0.594524283793 0.105611180874} H12 66 0.0 1 8 {} {0.596124734968 0.59709547319 0.743633690005} O14 67 0.0 1 14 {} {0.590214635011 0.662817841849 0.743862721298} Si42 68 0.0 1 8 {} {0.834870031795 0.177816953872 0.0408952002501} O15 69 0.0 1 1 {} {0.433854116649 0.174303528795 0.101204286158} H13 70 0.0 1 8 {} {0.584750432173 0.179236925975 0.714266769967} O16 71 0.0 1 1 {} {0.684094050052 0.175674160197 0.654260888972} H14 72 0.0 1 7 {} {0.444476765812 0.688723730301 0.644792432545} N 73 0.0 1 1 {} {0.440504922217 0.75236640834 0.65003789849} H16 74 0.0 1 9 {} {0.787319370384 0.680462811394 0.720528192441} F4 75 0.0 1 9 {} {0.264881303203 0.682094115028 0.392653249343} F5 76 0.0 1 9 {} {0.543696485714 0.6797190736 0.882007807521} F3 77 0.0 1 9 {} {0.140458986586 0.662663776565 0.586410837661} F1 78 0.0 1 9 {} {0.436234495493 0.790834615378 0.66077726104} F2 79 0.0 1 9 {} {0.553224061008 0.658423287578 0.454347122249} F6 80 0.0 1 @end @Columns Cell Constraints string {a b c A B G} Origin int {{0 0 0}} Parameters double {{10.0 10.0 10.0 90.0 90.0 90.0}} PrimitiveData double {{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}} RotationMatrix double {{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}} SpaceGroup string P1 SpaceGroupNumber int 1 ToCartesians double {{{10.0 0.0 0.0} {0.0 10.0 0.0} {0.0 0.0 10.0}}} ToFractionals double {{{0.10000000000000001 0.0 0.0} {0.0 0.10000000000000001 0.0} {0.0 0.0 0.10000000000000001}}} @end @data {a b c A B G} {0 0 0} {7.6631 25.3262 10.83726 90 90 90} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{7.6631 0 0} {0 25.3262 0} {0 0 10.83726}} {{0.130495491381 0 0} {0 0.0394848022996 0} {0 0 0.0922742464424}} @end @Columns AsymmetricBond Atom1 reference AsymmetricAtom Atom2 reference AsymmetricAtom Key int 0 Order int 0 @end @data 70 63 0 0 79 11 0 0 45 38 0 0 21 19 0 0 78 73 0 0 3 1 0 0 27 20 0 0 56 54 0 0 37 3 0 0 60 26 0 1 62 24 0 1 17 16 0 0 54 43 0 0 45 43 0 0 27 25 0 0 26 21 0 0 40 10 0 0 44 6 0 1 77 11 0 0 61 36 0 0 38 0 0 0 2 0 0 0 57 19 0 0 13 12 0 0 25 0 0 0 47 46 0 0 75 11 0 0 62 60 0 1 24 1 0 0 18 7 0 0 54 37 0 0 29 28 0 0 57 56 0 0 56 18 0 0 58 28 0 0 42 8 0 0 39 38 0 0 67 66 0 0 66 59 0 0 3 2 0 0 57 55 0 0 19 0 0 0 61 27 0 0 63 25 0 0 49 48 0 0 54 20 0 0 68 33 0 0 44 39 0 0 62 57 0 0 68 25 0 0 8 6 0 0 53 52 0 0 52 45 0 0 45 7 0 0 72 11 0 0 50 7 0 0 72 67 0 0 35 34 0 0 48 41 0 0 11 10 0 0 8 5 0 0 39 1 0 0 61 32 0 0 51 14 0 0 50 15 0 0 21 20 0 0 63 61 0 0 55 42 0 0 38 36 0 0 31 30 0 0 26 24 0 1 65 64 0 0 43 9 0 0 76 67 0 0 18 1 0 0 8 3 0 0 9 7 0 0 55 21 0 0 19 6 0 0 44 42 0 1 36 2 0 0 63 56 0 0 71 70 0 0 16 9 0 0 9 2 0 0 69 32 0 0 39 37 0 0 64 22 0 0 34 27 0 0 20 18 0 0 55 36 0 0 43 14 0 0 46 4 0 0 30 23 0 0 60 37 0 0 12 5 0 0 74 67 0 0 @end @Columns Bond AsymmetricBond reference AsymmetricBond Atom1 reference Atom Atom2 reference Atom CellOffset2 int {{0 0 0}} Key int 0 @end @data 0 70 63 {0 0 0} 0 1 11 79 {0 0 0} 0 2 45 38 {0 0 0} 0 3 19 21 {1 0 0} 0 4 73 78 {0 0 0} 0 5 3 1 {-1 0 0} 0 6 20 27 {0 0 0} 0 7 56 54 {0 0 0} 0 8 3 37 {0 0 0} 0 9 26 60 {0 0 0} 0 10 62 24 {0 0 0} 0 11 17 16 {0 0 0} 0 12 54 43 {0 0 0} 0 13 43 45 {0 0 0} 0 14 25 27 {1 0 0} 0 15 26 21 {0 0 0} 0 16 40 10 {0 0 0} 0 17 44 6 {0 0 0} 0 18 11 77 {0 0 0} 0 19 61 36 {0 0 1} 0 20 0 38 {0 0 0} 0 21 0 2 {1 0 0} 0 22 57 19 {0 0 0} 0 23 13 12 {0 0 0} 0 24 25 0 {0 0 1} 0 25 47 46 {0 0 0} 0 26 75 11 {0 0 0} 0 27 62 60 {0 0 0} 0 28 1 24 {0 0 0} 0 29 7 18 {0 0 0} 0 30 37 54 {0 0 0} 0 31 28 29 {0 0 0} 0 32 57 56 {0 0 0} 0 33 18 56 {0 0 0} 0 34 28 58 {0 0 -1} 0 35 8 42 {0 0 0} 0 36 38 39 {0 0 0} 0 37 67 66 {0 0 0} 0 38 59 66 {0 0 0} 0 39 3 2 {0 0 0} 0 40 57 55 {0 0 0} 0 41 0 19 {0 0 -1} 0 42 27 61 {0 0 0} 0 43 63 25 {0 0 0} 0 44 48 49 {0 0 0} 0 45 54 20 {0 0 0} 0 46 33 68 {0 0 0} 0 47 39 44 {0 0 0} 0 48 62 57 {0 0 0} 0 49 25 68 {0 0 1} 0 50 6 8 {1 0 0} 0 51 53 52 {0 0 0} 0 52 45 52 {0 0 0} 0 53 45 7 {0 0 0} 0 54 72 11 {0 0 0} 0 55 50 7 {0 0 0} 0 56 72 67 {0 0 0} 0 57 34 35 {0 0 0} 0 58 41 48 {0 0 0} 0 59 10 11 {0 0 0} 0 60 8 5 {0 0 0} 0 61 1 39 {0 0 0} 0 62 61 32 {0 0 1} 0 63 14 51 {0 0 0} 0 64 50 15 {0 0 0} 0 65 20 21 {0 0 0} 0 66 63 61 {0 0 0} 0 67 55 42 {0 0 1} 0 68 38 36 {0 0 0} 0 69 30 31 {0 0 0} 0 70 26 24 {-1 0 0} 0 71 64 65 {0 0 0} 0 72 9 43 {0 0 0} 0 73 76 67 {0 0 0} 0 74 1 18 {0 0 0} 0 75 8 3 {0 0 0} 0 76 7 9 {1 0 0} 0 77 55 21 {0 0 0} 0 78 19 6 {0 0 1} 0 79 44 42 {0 0 0} 0 80 36 2 {0 0 0} 0 81 56 63 {0 0 0} 0 82 70 71 {0 0 0} 0 83 16 9 {0 0 0} 0 84 2 9 {0 0 0} 0 85 69 32 {0 0 0} 0 86 39 37 {0 0 0} 0 87 22 64 {0 0 1} 0 88 27 34 {0 0 0} 0 89 20 18 {-1 0 0} 0 90 55 36 {0 0 1} 0 91 43 14 {0 0 0} 0 92 46 4 {0 0 0} 0 93 23 30 {0 0 0} 0 94 60 37 {0 0 0} 0 95 12 5 {0 0 0} 0 96 67 74 {0 0 0} 0 @end @Columns Subset Color string {{#65d9f0}} Criteria string {{}} DisplayLine int 0 IeqJ int 1 IgtJ int 0 IltJ int 0 Length int 1 Name string {{}} Table string {{}} Type string atom UseColor int 0 @end @data @end